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Arkhipkin, V. G.
2-photon-resonance and 3-photon-resonance displacement of frequencies and interference of quantum transitions / V. G. Arkhipkin // Zhurnal Eksperimentalnoi Teor. Fiz. - 1995. - Vol. 108, Is. 1. - P. 45-52. - Cited References: 16 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
ELECTROMAGNETICALLY INDUCED TRANSPARENCY
ATOMIC-HYDROGEN
GENERATION

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Доп.точки доступа:
Архипкин, Василий Григорьевич
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Fedorov, A. S.
Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P. 1546-1551, DOI 10.1002/pssb.200844155. - Cited References: 31 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
WALLED CARBON NANOTUBES
   MOLECULAR-DYNAMICS
   ROOM-TEMPERATURE
   STORAGE
   ENERGY
   THERMODYNAMICS
   GRAPHITE
   DENSITY
   POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Держатели документа:
[Fedorov, Alexander S.
Sorokin, Pavel B.
Kuzubov, Alexander A.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Fedorov, Alexander S.] Moscow Railroad Transport Engn Inst, Krasnoyarsk 660028, Russia
[Sorokin, Pavel B.
Kuzubov, Alexander A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Railroad Transport Institute, 660028 Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodniy av, 660041 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sorokin, P. B.; Kuzubov, A. A.; Кузубов, Александр Александрович; Федоров, Александр Семенович
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Ab-initio investigation of hydrogen absorption by magnesium nanoparticles [Text] / A. S. Fedorov, G. N1. Churilov [et al.] // Carbon Nanomaterials in Clean-Energy Hydrogen Systems : Proceedings of the NATO Advanced Research Workshop on Using Carbon Nanomaterials in Clean-Energy Hydrogen Systems Sudak, Crimea, Ukraine 22–28 September 2007 / red. Baranowski, B.; Zaginaichenko, S.; Schur, D.; Skorokhod, V.; Veziroglu, A. : Springer, 2008. - P603-610. - (SNATO Science for Peace and Security Series Subseries: NATO Science for Peace and Security Series C: Environmental Security), DOI 10.1007/978-1-4020-8898-8_75 . - ISBN 1874-6519

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Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Churilov, G. N.; Чурилов, Григорий Николаевич; Kuzubov, A.A.; Serjantova, M.V.; "Carbon Nanomaterials in Clean-Energy Hydrogen Systems", national conference(2008 ; Sep. ; 22-28 ; Sudak, Crimea)
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Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Physica status solidi B - Basic Solid State Physics. - 2009. - Т. 246, № 11-12. - P. 2598-2601, DOI 10.1002/pssb.200982285 . - ISSN 0370-1972. - ISSN 1521-3951

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics,Siberian Division,Russian Academy of Sciences
Krasnoyarsk Railway Transport Institute
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Sadreev, A. F.; Садреев, Алмаз Фаттахович
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Fedorov, A. S.
Ab-initio investigation of thermoactivated directional transport of hydrogen molecules inside narrow carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Phys. Status Solidi B. - 2009. - Vol. 246: 23rd Winterschool on Electronic Properties of Novel Materials (MAR 14, 2009, Kirchberg, GERMANY), Is. 11. - P. 2598-2601, DOI 10.1002/pssb.200982285. - Cited References: 21. - A.S.Fedorov thanks the Institute of Computer Modeling (Krasnoyarsk, Russia) and the Joint Supercomputer Center (Moscow) for an assistence in quantum chemical calculations. . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
ENERGY
Аннотация: Using the pseudopotential DFT and the empirical potential methods we calculate the potential acting to the hydrogen molecules in narrow single-wall carbon nanotubes (SWCNT) (6,0),(7,0) and (3,3). The potential forms a goffered potential surface and can be approximated as V(z, r, phi) approximate to V(0) sin(2 pi z/a) + V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. Taking into account that hydrogen density distribution inside nanotube is stationary and assuming the temperature is changed linearly along the SWCNT length we show that the H(2) density is sufficiently variated, especially for the case of (6,0)SWCNT where the density on both SWCNT ends are different at similar to 30 times when the temperature is changed along the SWCNT from 300K to 1200K. Suppose that H2 molecules can penetrate in the both open SWCNT ends, the molecules would move in the direction of the temperature decreasing. This effect may be used potentially to build up a molecular pump driven by the temperature gradient along narrow nanotube. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Fedorov, A. S.] Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Krasnoyarsk Railway Transport Institute, 660028 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович
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Ab-initio study of hydrogen chemical adsorption on the platinum surface/carbon nanotube join system [Text] / A. S. Fedorov, P. B. Sorokin, A. A. Kuzubov // Physica status solidi B - Basic Solid State Physics. - 2008. - Vol. 245, № 8. - P1546-1551

Доп.точки доступа:
Fedorov, A.S.; Sorokin, P.B.; Kuzubov, A. A.
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Fedorov, A. S.
Analysis of hydrogen adsorption in the bulk and on the surface of magnesium nanoparticles / A. S. Fedorov, M. V. Serzhantova, A. A. Kuzubov // J. Exp. Theor. Phys. - 2008. - Vol. 107, Is. 1. - P. 126-132, DOI 10.1134/S1063776108070121. - Cited References: 15. - This study was supported financially by the Russian Foundation for Basic Research ( project no. 06-02-16132). The authors are also grateful to the Institute of Computer Modeling of the Siberian Branch of the Russian Academy of Science for providing a cluster computer on which all quantum-chemistry calculations were performed. . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-DYNAMICS
TRANSITION
METALS
Кл.слова (ненормированные):
Adsorption -- Gas adsorption -- Hydrogen -- Light metals -- Magnesium -- Nonmetals -- Hydrogen adsorption -- Magnesium hydrides -- Magnesium printing plates
Аннотация: The stability of magnesium hydride (MgH (x) ) nanoparticles (x = 0.5,...,2) is investigated using ab initio calculations. It is shown that for a nanoparticle diameter of D similar to 5 nm, the internal pressure becomes lower than 3 kbar; for this reason, the structure of hydride nanoparticles coincides with the structure of this hydride in crystalline form. It is found that the phase of partly saturated MgH (x) hydrides (x < 2) must decompose into the phase of pure hcp magnesium and the alpha phase of MgH(2). The frequencies of jumps of hydrogen atoms within the hcp phase of magnesium and in the alpha phase of MgH(2) are calculated; it is shown that slow diffusion of hydrogen in magnesium is due to the large height of potential barriers for motion of hydrogen within MgH(2). To attain high diffusion rates, the structures of Mg(53)Sc and Mg(53)Ti crystals and their hydrides are calculated. It is found that the frequency of jumps of H atoms in Mg(53)ScH(108) near the Sc atoms does not noticeably change as compared to the frequency of jumps in the alpha phase of MgH(2), while the frequency of jumps in Mg(53)TiH(108) near Ti atoms is higher by approximately a factor of 2.5 x 10(6). This means that diffusion in manganese hydride with small admixtures of titanium atoms must be considerably eased. Chemical dissociation of hydrogen molecules on the (0001) surface of hcp magnesium, on the given surface with adjoined individual Ti atoms, and on the surface of a one-layer titanium cluster on the given surface of magnesium is investigated. It is found that dissociation of hydrogen at solitary titanium atoms, as well as on the surface of a Ti cluster, is facilitated to a considerable extent as compared to pure magnesium. This should also sharply increase the hydrogen adsorption rate in magnesium nanoparticles.

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Держатели документа:
[Fedorov, A. S.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Serzhantova, M. V.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Akademgorodok, Krasnoyarsk, 660028, Russian Federation

Доп.точки доступа:
Serzhantova, M. V.; Kuzubov, A. A.; Кузубов, Александр Александрович; Федоров, Александр Семенович
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Anisotropy of piezocaloric effect at ferroelectric phase transitions in ammonium hydrogen sulphate / E. A. Mikhaleva, M. V. Gorev, M. S. Molokeev [et al.] // J. Alloys Compd. - 2020. - Vol. 839. - Ст. 155085, DOI 10.1016/j.jallcom.2020.155085. - Cited References: 31. - The reported study was supported by the Russian Science Foundation (project no. 19-72-00023 ). X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0925-8388
Кл.слова (ненормированные):
Piezocaloric effect -- Phase transition -- Ferroelectrics -- Thermal expansion -- High-pressure -- Entropy
Аннотация: The role of anisotropy of the thermal expansion in formation of piezocaloric effect (PCE) near ferroelectric phase transitions in NH4HSO4 was studied. Strong difference in linear baric coefficients and as a result in intensive and extensive PCE associated with the different crystallographic axes was found. PCE giving the main contribution to the barocaloric effect were determined at both phase transitions. Rather strong effect of the lattice dilatation on the tuning of PCE was observed. Comparative analysis of PCE at the phase transitions in different materials showed that NH4HSO4 can be considered as a promising solid-state refrigerant. A hypothetical cooling cycle based on alternate using uniaxial pressure along two axes was considered.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич
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Anisotropy of piezocaloric effect at ferroelectric phase transitions in ammonium hydrogen sulphate / E. V. Bogdanov, I. N. Flerov // E-MRS fall meeting : conference programme. - 2019. - Ст. E.P.4. - This work was supported by the Russian Science Foundation (RSF) grant (No. 19-72-00023)

Материалы конференции
Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Siberian Federal University, 660074 Krasnoyarsk, Russia
Far Eastern State Transport University, Khabarovsk, Russia 680021
Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk, Russia

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Fall Meeting, European Materials Research Society(2019 ; Sept. ; 16-19 ; Warsaw, Poland); European Materials Research Society; Warsaw University of Technology
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10.

Golovnev, N.
Bridging behaviour of the 2-thiobarbiturate anion in its complexes with LiI and NaI / N. Golovnev, M. Molokeev // Acta Crystallographica Section C Crystal Structure Communications. - 2013. - Vol. 69, Pt. 7. - P. 704-708, DOI 10.1107/S0108270113014078 . - ISSN 0108-2701
Кл.слова (ненормированные):
2-thiobarbituric acid -- Coordinated water -- Dihydrates -- Edge sharing -- Hydrogen bonding interactions -- Three-dimensional networks -- Atoms -- Complex networks -- Hydrogen bonds -- Ligands -- Negative ions -- Positive ions -- Three dimensional -- Lithium
Аннотация: The structures of the LiI and NaI salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H 2TBA) have been studied. μ-Aqua-octaaquabis(μ-2- thiobarbiturato-κ2 O:O′)bis(2-thiobarbiturato-κO) tetralithium(I) dihydrate, [Li4(C4H3N 2O2S)4(H2O)9]·2H 2O, (I), crystallizes with four symmetry-independent four-coordinated LiI cations and four independent HTBA- anions. The structure contains two structurally non-equivalent LiI cations and two non-equivalent HTBA- anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9] ·2H2O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[μ2-aqua-tetraaqua(μ4-2- thiobarbiturato-κ4 O:O:S:S)(μ2-thiobarbiturato- κ2 O:S)disodium(I)], [Na2(C4H 3N2O2S)2(H2O) 5] n , (II), crystallizes with six-coordinated NaI cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the μ4-HTBA- ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA- ligands integrate the chains to give a three-dimensional network. © 2013 International Union of Crystallography.

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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич
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